Molecule

ID:67279

General Information
Structure
MolImage
Molecular Formula
C₆H₃FN₂
Molecular Mass
122.0998232
Exact Mass
122.02802633
Charge
0
InChI
InChI=1S/C6H3FN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H
InChIKey
RFQHDTRSEWCXJP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccncc1F
Isomeric Smiles
c1c(c(ccn1)C#N)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7543714
LogD (pH = 7.4)
0.7543715
Log P
0.7543715
Molar Refractivity
29.8391
Polarizability
10.979742
Polar Surface Area
36.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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